6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine

C21H27N5 — CID 112907751

IUPAC6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(C)nc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C21H27N5/c1-3-11-22-20-17-18(2)23-21(24-20)26-15-13-25(14-16-26)12-7-10-19-8-5-4-6-9-19/h3-10,17H,1,11-16H2,2H3,(H,22,23,24)/b10-7+
InChIKeyYLFNXOUCPWZHCT-JXMROGBWSA-N
MW349.48 g/mol
LogP3.22
Rot. Bonds7

About 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine

6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine (PubChem CID 112907751) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine
PubChem CID112907751
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(C)nc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C21H27N5/c1-3-11-22-20-17-18(2)23-21(24-20)26-15-13-25(14-16-26)12-7-10-19-8-5-4-6-9-19/h3-10,17H,1,11-16H2,2H3,(H,22,23,24)/b10-7+
InChIKeyYLFNXOUCPWZHCT-JXMROGBWSA-N
XLogP3.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine
CID 112923742
1-[4-[4-methyl-6-(prop-2-enylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112907704
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine
CID 112939742
(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109321596
2-methyl-N-(3-methylbutyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112875456
N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112907586
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272208
N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112923726
2-(4-benzylpiperazin-1-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 112906857
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 54155520
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
N-[(4-methylphenyl)methyl]-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112859187

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine (CID 112907751) is 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(C)nc(N2CCN(C/C=C/c3ccccc3)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is YLFNXOUCPWZHCT-JXMROGBWSA-N. The full InChI is InChI=1S/C21H27N5/c1-3-11-22-20-17-18(2)23-21(24-20)26-15-13-25(14-16-26)12-7-10-19-8-5-4-6-9-19/h3-10,17H,1,11-16H2,2H3,(H,22,23,24)/b10-7+.
What are the key properties of 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine?
6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 349.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 112907751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).